(1S,2S,4S)-2,4-diaminocyclohexan-1-ol

C6H14N2O — CID 55289345

IUPAC(1S,2S,4S)-2,4-diaminocyclohexan-1-ol
SMILESN[C@H]1CC[C@H](O)[C@@H](N)C1
InChIInChI=1S/C6H14N2O/c7-4-1-2-6(9)5(8)3-4/h4-6,9H,1-3,7-8H2/t4-,5-,6-/m0/s1
InChIKeyGLNQKYXXXHMERA-ZLUOBGJFSA-N
MW130.19 g/mol
LogP-0.81
Rot. Bonds

About (1S,2S,4S)-2,4-diaminocyclohexan-1-ol

(1S,2S,4S)-2,4-diaminocyclohexan-1-ol (PubChem CID 55289345) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is (1S,2S,4S)-2,4-diaminocyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,4S)-2,4-diaminocyclohexan-1-ol
PubChem CID55289345
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name(1S,2S,4S)-2,4-diaminocyclohexan-1-ol
SMILESN[C@H]1CC[C@H](O)[C@@H](N)C1
InChIInChI=1S/C6H14N2O/c7-4-1-2-6(9)5(8)3-4/h4-6,9H,1-3,7-8H2/t4-,5-,6-/m0/s1
InChIKeyGLNQKYXXXHMERA-ZLUOBGJFSA-N
XLogP-0.81
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-2,4-diaminocyclohexan-1-ol?
The IUPAC name of (1S,2S,4S)-2,4-diaminocyclohexan-1-ol (CID 55289345) is (1S,2S,4S)-2,4-diaminocyclohexan-1-ol.
What is the SMILES notation for (1S,2S,4S)-2,4-diaminocyclohexan-1-ol?
The canonical SMILES for (1S,2S,4S)-2,4-diaminocyclohexan-1-ol is N[C@H]1CC[C@H](O)[C@@H](N)C1.
What is the InChIKey of (1S,2S,4S)-2,4-diaminocyclohexan-1-ol?
The InChIKey is GLNQKYXXXHMERA-ZLUOBGJFSA-N. The full InChI is InChI=1S/C6H14N2O/c7-4-1-2-6(9)5(8)3-4/h4-6,9H,1-3,7-8H2/t4-,5-,6-/m0/s1.
What are the key properties of (1S,2S,4S)-2,4-diaminocyclohexan-1-ol?
(1S,2S,4S)-2,4-diaminocyclohexan-1-ol has a molecular weight of 130.19 g/mol, XLogP of -0.81, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-2,4-diaminocyclohexan-1-ol is sourced from PubChem (CID 55289345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).